[3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone

C20H23FN4O2 — CID 167897093

IUPAC[3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCCC(Nc3ncc(F)cn3)C2)CC1
InChIInChI=1S/C20H23FN4O2/c1-27-17-7-3-2-6-16(17)20(8-9-20)18(26)25-10-4-5-15(13-25)24-19-22-11-14(21)12-23-19/h2-3,6-7,11-12,15H,4-5,8-10,13H2,1H3,(H,22,23,24)
InChIKeyGVCBXQLTMLAZSS-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.76
Rot. Bonds5

About [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone

[3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone (PubChem CID 167897093) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
PubChem CID167897093
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name[3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCCC(Nc3ncc(F)cn3)C2)CC1
InChIInChI=1S/C20H23FN4O2/c1-27-17-7-3-2-6-16(17)20(8-9-20)18(26)25-10-4-5-15(13-25)24-19-22-11-14(21)12-23-19/h2-3,6-7,11-12,15H,4-5,8-10,13H2,1H3,(H,22,23,24)
InChIKeyGVCBXQLTMLAZSS-UHFFFAOYSA-N
XLogP2.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187521
[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 110436782
(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 97064118
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122348099
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 155981877
[1-(2-methoxyphenyl)cyclopropyl]-[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 139023150
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 120816573
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 121190644
[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343425

Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone (CID 167897093) is [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone is COc1ccccc1C1(C(=O)N2CCCC(Nc3ncc(F)cn3)C2)CC1.
What is the InChIKey of [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is GVCBXQLTMLAZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-27-17-7-3-2-6-16(17)20(8-9-20)18(26)25-10-4-5-15(13-25)24-19-22-11-14(21)12-23-19/h2-3,6-7,11-12,15H,4-5,8-10,13H2,1H3,(H,22,23,24).
What are the key properties of [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone?
[3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 370.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 167897093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).